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Information card for entry 4505765
Preview
Coordinates | 4505765.cif |
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Original paper (by DOI) | HTML |
Chemical name | 5,15-diphenyl-2,8,12,18-tetrahexyl-3,7,13,17-tetramethylporphyrin, alpha form |
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Formula | C60 H78 N4 |
Calculated formula | C60 H78 N4 |
Title of publication | Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins |
Authors of publication | Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2002 |
Journal volume | 2 |
Journal issue | 1 |
Pages of publication | 27 |
a | 10.974 ± 0.002 Å |
b | 17.163 ± 0.003 Å |
c | 6.895 ± 0.002 Å |
α | 99.73 ± 0.01° |
β | 92.87 ± 0.02° |
γ | 87.86 ± 0.01° |
Cell volume | 1277.8 ± 0.5 Å3 |
Cell temperature | 210 ± 2 K |
Ambient diffraction temperature | 210 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1903 |
Residual factor for significantly intense reflections | 0.1038 |
Weighted residual factors for significantly intense reflections | 0.212 |
Weighted residual factors for all reflections included in the refinement | 0.2507 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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